3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol

C9H8FN3O2 — CID 136998730

IUPAC3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol
SMILESNc1cc(-c2c(F)ccc(O)c2O)[nH]n1
InChIInChI=1S/C9H8FN3O2/c10-4-1-2-6(14)9(15)8(4)5-3-7(11)13-12-5/h1-3,14-15H,(H3,11,12,13)
InChIKeyNSFHNUMXTWPQKB-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.21
Rot. Bonds1

About 3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol

3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol (PubChem CID 136998730) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol.

Molecular Properties

Compound Name3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol
PubChem CID136998730
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol
SMILESNc1cc(-c2c(F)ccc(O)c2O)[nH]n1
InChIInChI=1S/C9H8FN3O2/c10-4-1-2-6(14)9(15)8(4)5-3-7(11)13-12-5/h1-3,14-15H,(H3,11,12,13)
InChIKeyNSFHNUMXTWPQKB-UHFFFAOYSA-N
XLogP1.21
TPSA95.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol?
The IUPAC name of 3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol (CID 136998730) is 3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol.
What is the SMILES notation for 3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol?
The canonical SMILES for 3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol is Nc1cc(-c2c(F)ccc(O)c2O)[nH]n1.
What is the InChIKey of 3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol?
The InChIKey is NSFHNUMXTWPQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c10-4-1-2-6(14)9(15)8(4)5-3-7(11)13-12-5/h1-3,14-15H,(H3,11,12,13).
What are the key properties of 3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol?
3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol has a molecular weight of 209.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzene-1,2-diol is sourced from PubChem (CID 136998730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).